N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (Q27139298)

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

7 October 2016

chemical formula

C₃₉H₇₇NO₁₀

1 reference

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

7 October 2016

canonical SMILES

CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCC(C)C)O)O)O

1 reference

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O)O

1 reference

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

InChI=1S/C39H77NO10/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-32(43)38(48)40-30(28-49-39-37(47)36(46)35(45)33(27-41)50-39)34(44)31(42)25-22-19-16-14-13-15-18-21-24-29(2)3/h29-37,39,41-47H,4-28H2,1-3H3,(H,40,48)/t30-,31+,32?,33+,34-,35+,36-,37+,39+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

GDNGVGFYDMGERE-QAXDFYDYSA-N

7 October 2016

InChIKey

2 references

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[(2S,3S,4R)-1-(beta-D-Glucopyranosyloxy)-3,4-dihydroxy-15-methyl-2-hexadecanyl]-2-hydroxyhexadecanamide (English)

7 October 2016

2 references

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)

matched by identifier from

7 October 2016

InChIKey

GDNGVGFYDMGERE-QAXDFYDYSA-N

ChEBI ID

71080

mapping relation type

2 references

N-(2-hydroxyhexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (English)